EcoDrugPlus


Trade Names	THIOLA THIOLA EC
Synonyms	Acadione Captimer NSC-760416 Thiola Thiola ec Tiopronin
Status
Molecule Category	Free-form
ATC	G04BX16
UNII	C5W04GO61S
EPA CompTox	DTXSID4023678

Trade Names

THIOLA

THIOLA EC

Synonyms

Acadione

Captimer

NSC-760416

Thiola

Thiola ec

Tiopronin

Status

Molecule Category

Free-form

ATC

G04BX16

UNII

C5W04GO61S

EPA CompTox

DTXSID4023678


InChI Key	YTGJWQPHMWSCST-UHFFFAOYSA-N
Smiles	CC(S)C(=O)NCC(=O)O
InChI	InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)

InChI Key

YTGJWQPHMWSCST-UHFFFAOYSA-N

Smiles

CC(S)C(=O)NCC(=O)O

InChI

InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)

Property Name	Value
Molecular Formula	C5H9NO3S
Molecular Weight	163.2
AlogP	-0.49
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	66.4
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C5H9NO3S

Molecular Weight

163.2

AlogP

-0.49

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

66.4

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

10.0

Mechanism of Action	Action	Reference
Reducing agent	None	DailyMed

Mechanism of Action

Action

Reference

Reducing agent

None

DailyMed

Resources	Reference
ChEBI	32229
ChEMBL	CHEMBL1314
DrugBank	DB06823
DrugCentral	2676
FDA SRS	C5W04GO61S
KEGG	C12876
PubChem	5483
SureChEMBL	SCHEMBL19989
ZINC	ZINC03831551

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TIOPRONIN

Structure

Physicochemical Descriptors

Metabolites Network

Pharmacology

Cross References